2,2,2-tribromo-1-(4-bromophenyl)ethanone

C8H4Br4O — CID 13089840

IUPAC2,2,2-tribromo-1-(4-bromophenyl)ethanone
SMILESO=C(c1ccc(Br)cc1)C(Br)(Br)Br
InChIInChI=1S/C8H4Br4O/c9-6-3-1-5(2-4-6)7(13)8(10,11)12/h1-4H
InChIKeyVIDYKFKMPNXAJX-UHFFFAOYSA-N
MW435.74 g/mol
LogP4.47
Rot. Bonds1

About 2,2,2-tribromo-1-(4-bromophenyl)ethanone

2,2,2-tribromo-1-(4-bromophenyl)ethanone (PubChem CID 13089840) has the molecular formula C8H4Br4O and a molecular weight of 435.74 g/mol. Its IUPAC name is 2,2,2-tribromo-1-(4-bromophenyl)ethanone.

Molecular Properties

Compound Name2,2,2-tribromo-1-(4-bromophenyl)ethanone
PubChem CID13089840
Molecular FormulaC8H4Br4O
Molecular Weight435.74 g/mol
Exact Mass431.70
IUPAC Name2,2,2-tribromo-1-(4-bromophenyl)ethanone
SMILESO=C(c1ccc(Br)cc1)C(Br)(Br)Br
InChIInChI=1S/C8H4Br4O/c9-6-3-1-5(2-4-6)7(13)8(10,11)12/h1-4H
InChIKeyVIDYKFKMPNXAJX-UHFFFAOYSA-N
XLogP4.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.74
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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CID 67824318
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4-[(4-bromophenyl)-bis(4-carboxyphenyl)methyl]benzoic acid
CID 102358127
ethane;2,2,2-tribromo-1-phenylethanone
CID 159508588
2-(4-bromophenyl)-2-oxoacetyl bromide
CID 57469239
1-(4-bromophenyl)-2-chloro-2-iodo-2-methylsulfonylethanone
CID 102549704
1-(4-bromophenyl)-2-tert-butylsulfinylpropan-1-one
CID 64640875
1-bromo-4-[1,2,2-tris(4-bromophenyl)ethenyl]benzene
CID 11828419
benzene;1-(4-bromophenyl)ethanone
CID 174710467
(4-bromobenzenecarbothioyl)carbamic acid
CID 174856850
(4-bromophenyl)-(4-methoxyphenyl)methanone
CID 794333
1-(4-bromophenyl)-2-phosphanylethanone;hydrobromide
CID 173013220

Frequently Asked Questions

What is the IUPAC name of 2,2,2-tribromo-1-(4-bromophenyl)ethanone?
The IUPAC name of 2,2,2-tribromo-1-(4-bromophenyl)ethanone (CID 13089840) is 2,2,2-tribromo-1-(4-bromophenyl)ethanone.
What is the SMILES notation for 2,2,2-tribromo-1-(4-bromophenyl)ethanone?
The canonical SMILES for 2,2,2-tribromo-1-(4-bromophenyl)ethanone is O=C(c1ccc(Br)cc1)C(Br)(Br)Br.
What is the InChIKey of 2,2,2-tribromo-1-(4-bromophenyl)ethanone?
The InChIKey is VIDYKFKMPNXAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br4O/c9-6-3-1-5(2-4-6)7(13)8(10,11)12/h1-4H.
What are the key properties of 2,2,2-tribromo-1-(4-bromophenyl)ethanone?
2,2,2-tribromo-1-(4-bromophenyl)ethanone has a molecular weight of 435.74 g/mol, XLogP of 4.47, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-tribromo-1-(4-bromophenyl)ethanone is sourced from PubChem (CID 13089840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).